2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide

C12H22N2O — CID 76923281

IUPAC2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
SMILESCCC=C(C)C(=O)NCC1CCNCC1
InChIInChI=1S/C12H22N2O/c1-3-4-10(2)12(15)14-9-11-5-7-13-8-6-11/h4,11,13H,3,5-9H2,1-2H3,(H,14,15)
InChIKeyGLOIXTODOGQHQE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide

2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide (PubChem CID 76923281) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
PubChem CID76923281
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
SMILESCCC=C(C)C(=O)NCC1CCNCC1
InChIInChI=1S/C12H22N2O/c1-3-4-10(2)12(15)14-9-11-5-7-13-8-6-11/h4,11,13H,3,5-9H2,1-2H3,(H,14,15)
InChIKeyGLOIXTODOGQHQE-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide
CID 17019739
(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 86779897
(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide
CID 96646542
N-(azetidin-3-yl)-2-methylpent-2-enamide
CID 77114451
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
(Z)-3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide
CID 143622632
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
CID 3148496
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
CID 117234637

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide?
The IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide (CID 76923281) is 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide.
What is the SMILES notation for 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide?
The canonical SMILES for 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide is CCC=C(C)C(=O)NCC1CCNCC1.
What is the InChIKey of 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide?
The InChIKey is GLOIXTODOGQHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-10(2)12(15)14-9-11-5-7-13-8-6-11/h4,11,13H,3,5-9H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide?
2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide is sourced from PubChem (CID 76923281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).